CAS RN: 1192500-31-4
AvibactaM
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250901 | 5mg / 25mg / 100mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1192500-31-4
- Purity/Analytical Methods: >99.0%
1192500-31-4 / [(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Avibactam | NXL104 | Nxl-104 free acid
Basic Information
CAS
1192500-31-4
Multi CAS
Yes
Molecular Formula
C7H11N3O6S
Molecular Weight
265.250000
Exact Mass
265.036856
SMILES
C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N
InChI
InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1
InChIKey
NDCUAPJVLWFHHB-UHNVWZDZSA-N
Synonyms
Avibactam
NXL104
Nxl-104 free acid
NXL-104
[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
52.58
TPSA
130.24
LogP / Solubility
WLOGP
-1.53
MLOGP
-1.33
XLogP3
-1.8
Consensus LogP
-1.55
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.48
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5
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